General Information of the Compound
| Compound ID |
CP0399286
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| Compound Name |
8-(bis(2-chlorophenyl)methyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Structure |
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| Formula |
C27H25Cl3N2O
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| Molecular Weight |
499.869
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| Canonical SMILES |
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H25Cl3N2O/c28-18-11-9-17(10-12-18)27(26(31)33)15-19-13-14-20(16-27)32(19)25(21-5-1-3-7-23(21)29)22-6-2-4-8-24(22)30/h1-12,19-20,25H,13-16H2,(H2,31,33)
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| InChIKey |
QWSHRMLHRIRDFK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor